CID 28395442

4-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid

Structural Information

Molecular Formula
C7H11NO4
SMILES
C1COC(=O)N1CCCC(=O)O
InChI
InChI=1S/C7H11NO4/c9-6(10)2-1-3-8-4-5-12-7(8)11/h1-5H2,(H,9,10)
InChIKey
AKFCIHCFICKKDL-UHFFFAOYSA-N
Compound name
4-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0688 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 134.9
[M+Na]+ 196.058018 141.6
[M-H]- 172.061524 136.1
[M+NH4]+ 191.102623 153.4
[M+K]+ 212.031958 142.0
[M+H-H2O]+ 156.066060 129.2
[M+HCOO]- 218.067001 154.5
[M+CH3COO]- 232.082651 174.5
[M+Na-2H]- 194.043466 138.5
[M]+ 173.06825142 135.2
[M]- 173.06934858 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.